SCHEMBL20400552

SCHEMBL20400552

CCC(C)(CC(=O)O)c1cccc(Cn2cc(-c3cc(-c4cccc(I)c4C#N)nc(N)n3)nn2)n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 19/20 0.57
▸ ADORA2B P29275 17/20 0.57
▸ ADORA1 P30542 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20401368 0.92 ADORA2A (0.56) ADORA2AADORA2BADORA1
SCHEMBL20400587 0.87 ADORA2A (0.58) ADORA2AADORA2BADORA1
SCHEMBL20401320 0.87 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL30399736 0.87 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL30401435 0.87 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL20416601 0.87 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL20401323 0.87 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL20416903 0.86 ADORA2A (0.54) ADORA2AADORA2BADORA1
SCHEMBL30402070 0.86 ADORA2A (0.54) ADORA2AADORA2BADORA1
SCHEMBL20401358 0.83 ADORA2A (0.54) ADORA2AADORA2BADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018136700-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. (US) 2018-07-26 — — WO disclosed
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